ChemSpider 2D Image | N-[(2S)-4-(5-Fluoro-2-pyrimidinyl)-1-({4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-butanyl]-N-hydroxyformamide | C19H23F4N7O5S

N-[(2S)-4-(5-Fluoro-2-pyrimidinyl)-1-({4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-butanyl]-N-hydroxyformamide

  • Molecular FormulaC19H23F4N7O5S
  • Average mass537.488 Da
  • Monoisotopic mass537.141724 Da
  • ChemSpider ID35035715
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Formamide, N-[(1S)-3-(5-fluoro-2-pyrimidinyl)-1-[[[4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-1-piperazinyl]sulfonyl]methyl]propyl]-N-hydroxy- [ACD/Index Name]
N-[(2S)-4-(5-Fluor-2-pyrimidinyl)-1-({4-[5-(2,2,2-trifluorethoxy)-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-butanyl]-N-hydroxyformamid [German] [ACD/IUPAC Name]
N-[(2S)-4-(5-Fluoro-2-pyrimidinyl)-1-({4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-butanyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(2S)-4-(5-Fluoro-2-pyrimidinyl)-1-({4-[5-(2,2,2-trifluoroéthoxy)-2-pyrimidinyl]-1-pipérazinyl}sulfonyl)-2-butanyl]-N-hydroxyformamide [French] [ACD/IUPAC Name]
N-[(2s)-4-(5-Fluoropyrimidin-2-Yl)-1-({4-[5-(2,2,2-Trifluoroethoxy)pyrimidin-2-Yl]piperazin-1-Yl}sulfonyl)butan-2-Yl]-N-Hydroxyformamide
AZ4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 701.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.7±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 116.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 56.67
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 50.61
Polar Surface Area: 150 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 340.7±5.0 cm3

Click to predict properties on the Chemicalize site






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